2-(4-Chloro-3-nitrophenyl)-2-oxoethyl 4-fluorobenzoate
TL;DR: 2-(4-Chloro-3-nitrophenyl)-2-oxoethyl 4-fluorobenzoate (CAS 352671-42-2) is a chemical compound with molecular formula C15H9ClFNO5 and molecular weight 337.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-chloro-3-nitrophenyl)-2-oxoethyl] 4-fluorobenzoate
Also Known As: 2-(4-chloro-3-nitrophenyl)-2-oxoethyl 4-fluorobenzoate, 2-{4-chloro-3-nitrophenyl}-2-oxoethyl 4-fluorobenzoate, [2-(4-chloro-3-nitrophenyl)-2-oxoethyl] 4-fluorobenzoate
| Molecular Formula | C15H9ClFNO5 |
|---|---|
| Molecular Weight | 337.02 g/mol |
| LogP | 3.427 |
| Topological Polar Surface Area | 86.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 337.01532 |
| Heavy Atoms | 23 |
| Complexity | 775.93677 |
Chemical Identifiers
| CAS Number | 352671-42-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)OCC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])F |
Product Overview
2-(4-Chloro-3-nitrophenyl)-2-oxoethyl 4-fluorobenzoate (CAS 352671-42-2), with molecular formula C15H9ClFNO5 and molecular weight 337.02 g/mol. IUPAC: [2-(4-chloro-3-nitrophenyl)-2-oxoethyl] 4-fluorobenzoate.
Chemical Property Profile of 2-(4-Chloro-3-nitrophenyl)-2-oxoethyl 4-fluorobenzoate
Property Insights of 2-(4-Chloro-3-nitrophenyl)-2-oxoethyl 4-fluorobenzoate
The XLogP value of 3.427 indicates that 2-(4-Chloro-3-nitrophenyl)-2-oxoethyl 4-fluorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Chloro-3-nitrophenyl)-2-oxoethyl 4-fluorobenzoate. Following Lipinski's Rule of Five, 2-(4-Chloro-3-nitrophenyl)-2-oxoethyl 4-fluorobenzoate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(4-Chloro-3-nitrophenyl)-2-oxoethyl 4-fluorobenzoate?
The CAS number of 2-(4-Chloro-3-nitrophenyl)-2-oxoethyl 4-fluorobenzoate is 352671-42-2.
What is the molecular formula of 2-(4-Chloro-3-nitrophenyl)-2-oxoethyl 4-fluorobenzoate?
The molecular formula of 2-(4-Chloro-3-nitrophenyl)-2-oxoethyl 4-fluorobenzoate is C15H9ClFNO5.
What is the molecular weight of 2-(4-Chloro-3-nitrophenyl)-2-oxoethyl 4-fluorobenzoate?
The molecular weight of 2-(4-Chloro-3-nitrophenyl)-2-oxoethyl 4-fluorobenzoate is 337.02 g/mol.
Where can I buy 2-(4-Chloro-3-nitrophenyl)-2-oxoethyl 4-fluorobenzoate?
You can request a quote for 2-(4-Chloro-3-nitrophenyl)-2-oxoethyl 4-fluorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Chloro-3-nitrophenyl)-2-oxoethyl 4-fluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Chloro-3-nitrophenyl)-2-oxoethyl 4-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.